1,2-bis(isocyanatomethyl)-3,4,5,6-tetramethyl-benzene; 1,1-diisocyanatododecane

Systemtic Name: 1,2-bis(isocyanatomethyl)-3,4,5,6-tetramethyl-benzene; 1,1-diisocyanatododecane Openeye Name: 1,2-bis(isocyanatomethyl)-3,4,5,6-tetramethyl-benzene; 1,1-diisocyanatododecane CAS Name: 1,2-bis(isocyanatomethyl)-3,4,5,6-tetramethylbenzene; 1,1-diisocyanatododecane IUPAC Name: 1,2-bis(isocyanatomethyl)-3,4,5,6-tetramethylbenzene; 1,1-diisocyanatododecane Traditional Name: 1,2-bis(isocyanatomethyl)-3,4,5,6-tetramethyl-benzene; 1,1-diisocyanatododecane Formula: C28H40N4O4 MolecularWeight: 496.6416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(N=C=O)N=C=O.CC1=C(C(=C(C(=C1C)CN=C=O)CN=C=O)C)C

Isomeric SMILES

CCCCCCCCCCCC(N=C=O)N=C=O.CC1=C(C(=C(C(=C1C)CN=C=O)CN=C=O)C)C

InChI

InChI=1S/C14H16N2O2.C14H24N2O2/c1-9-10(2)12(4)14(6-16-8-18)13(11(9)3)5-15-7-17;1-2-3-4-5-6-7-8-9-10-11-14(15-12-17)16-13-18/h5-6H2,1-4H3;14H,2-11H2,1H3